3-amino-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)pyrazine-2-carboxamide

C19H14N8O2S — CID 146386585

IUPAC3-amino-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)pyrazine-2-carboxamide
SMILESNc1nc(-c2ncco2)c(-c2ccc3nccn3c2)nc1C(=O)NCc1cscn1
InChIInChI=1S/C19H14N8O2S/c20-17-16(18(28)23-7-12-9-30-10-24-12)25-14(15(26-17)19-22-4-6-29-19)11-1-2-13-21-3-5-27(13)8-11/h1-6,8-10H,7H2,(H2,20,26)(H,23,28)
InChIKeyDVHUVOWCVIABLZ-UHFFFAOYSA-N
MW418.44 g/mol
LogP2.41
Rot. Bonds5

About 3-amino-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)pyrazine-2-carboxamide

3-amino-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)pyrazine-2-carboxamide (PubChem CID 146386585) has the molecular formula C19H14N8O2S and a molecular weight of 418.44 g/mol. Its IUPAC name is 3-amino-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)pyrazine-2-carboxamide
PubChem CID146386585
Molecular FormulaC19H14N8O2S
Molecular Weight418.44 g/mol
Exact Mass418.10
IUPAC Name3-amino-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)pyrazine-2-carboxamide
SMILESNc1nc(-c2ncco2)c(-c2ccc3nccn3c2)nc1C(=O)NCc1cscn1
InChIInChI=1S/C19H14N8O2S/c20-17-16(18(28)23-7-12-9-30-10-24-12)25-14(15(26-17)19-22-4-6-29-19)11-1-2-13-21-3-5-27(13)8-11/h1-6,8-10H,7H2,(H2,20,26)(H,23,28)
InChIKeyDVHUVOWCVIABLZ-UHFFFAOYSA-N
XLogP2.41
TPSA137.12 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)pyrazine-2-carboxamide (CID 146386585) is 3-amino-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)pyrazine-2-carboxamide is Nc1nc(-c2ncco2)c(-c2ccc3nccn3c2)nc1C(=O)NCc1cscn1.
What is the InChIKey of 3-amino-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is DVHUVOWCVIABLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N8O2S/c20-17-16(18(28)23-7-12-9-30-10-24-12)25-14(15(26-17)19-22-4-6-29-19)11-1-2-13-21-3-5-27(13)8-11/h1-6,8-10H,7H2,(H2,20,26)(H,23,28).
What are the key properties of 3-amino-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)pyrazine-2-carboxamide?
3-amino-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 418.44 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 146386585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).